CHEBI:169122 - 24-Hydroxyglycyrrhetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 24-Hydroxyglycyrrhetic acid
ChEBI ID CHEBI:169122
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46O5
Net Charge 0
Average Mass 486.693
Monoisotopic Mass 486.33452
InChI InChI=1S/C30H46O5/c1-25-11-12-26(2,24(34)35)16-19(25)18-15-20(32)23-27(3)9-8-22(33)28(4,17-31)21(27)7-10-30(23,6)29(18,5)14-13-25/h15,19,21-23,31,33H,7-14,16-17H2,1-6H3,(H,34,35)
InChIKey GSEPOEIKWTXTHS-UHFFFAOYSA-N
SMILES OC1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C(O)=O)C)=CC3=O)C)(CC2)C)(CC1)C)(CO)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 24-Hydroxyglycyrrhetic acid (CHEBI:169122) is a triterpenoid (CHEBI:36615)
IUPAC Name
10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Manual Xrefs Databases
14443195 ChemSpider
HMDB0035261 HMDB
View more database links